chempirical

Omipalisib

C25H17F2N5O3SCAS 1086062-66-9505.50 g/mol

Open in Covalent MOL file
ONNNNHNSOOFF
Aryl halideEtherSulfonamide

Properties

Molecular formula
C25H17F2N5O3S
Molar mass
505.50 g/mol
Exact mass
505.1020 Da
Melting point
187–189 °C
logP
4.84Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1086062-66-9
SMILES
COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIKey
CGBJSGAELGCMKE-UHFFFAOYSA-N
InChI
InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenesulfonamide, 2,4-difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]-
  • 2,4-Difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide
  • GSK 2126458
  • GSK 458

Work with Omipalisib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook